2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C27H26F3N5O2 — CID 25221664

IUPAC2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cn(-c2ccc(C3=NC4(CCCC4)N(CC(=O)Nc4cccc(C(F)(F)F)c4)C3=O)cc2)c(C)n1
InChIInChI=1S/C27H26F3N5O2/c1-17-15-34(18(2)31-17)22-10-8-19(9-11-22)24-25(37)35(26(33-24)12-3-4-13-26)16-23(36)32-21-7-5-6-20(14-21)27(28,29)30/h5-11,14-15H,3-4,12-13,16H2,1-2H3,(H,32,36)
InChIKeyHDFYYZZLGUZDSY-UHFFFAOYSA-N
MW509.53 g/mol
LogP5.05
Rot. Bonds5

About 2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 25221664) has the molecular formula C27H26F3N5O2 and a molecular weight of 509.53 g/mol. Its IUPAC name is 2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID25221664
Molecular FormulaC27H26F3N5O2
Molecular Weight509.53 g/mol
Exact Mass509.20
IUPAC Name2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cn(-c2ccc(C3=NC4(CCCC4)N(CC(=O)Nc4cccc(C(F)(F)F)c4)C3=O)cc2)c(C)n1
InChIInChI=1S/C27H26F3N5O2/c1-17-15-34(18(2)31-17)22-10-8-19(9-11-22)24-25(37)35(26(33-24)12-3-4-13-26)16-23(36)32-21-7-5-6-20(14-21)27(28,29)30/h5-11,14-15H,3-4,12-13,16H2,1-2H3,(H,32,36)
InChIKeyHDFYYZZLGUZDSY-UHFFFAOYSA-N
XLogP5.05
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.53
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

2-[3-oxo-2-(4-pyridin-2-ylphenyl)-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25221551
2-[2-[4-(4-methylimidazol-1-yl)phenyl]-3-oxo-9-oxa-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25221440
N-[3,5-bis(trifluoromethyl)phenyl]-2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 24746337
N-[3-(1,1-difluoroethyl)phenyl]acetamide;formaldehyde;2-[4-(4-methylimidazol-1-yl)phenyl]-4-[[3-(trifluoromethyl)anilino]methyl]-1,4-diazaspiro[4.5]dec-1-en-3-one
CID 143776412
2-[3-methylidene-2-[4-(4-methylimidazol-1-yl)phenyl]-9-oxa-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 70273902
N-(2-fluoro-5-methylphenyl)-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 24743623
N-(3,4-dimethylphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide
CID 7184194
2-[2-(4-methoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 53490419
N-tert-butyl-2-[3-oxo-2-[4-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]acetamide
CID 24995853
2-[3-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1,3-diazaspiro[4.4]nonan-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 25221093
2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]-N-(2-methylphenyl)acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
CID 160593756
N-(3,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.6]undec-1-en-4-yl]acetamide;2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-phenylacetamide
CID 161365092

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 25221664) is 2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is Cc1cn(-c2ccc(C3=NC4(CCCC4)N(CC(=O)Nc4cccc(C(F)(F)F)c4)C3=O)cc2)c(C)n1.
What is the InChIKey of 2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HDFYYZZLGUZDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F3N5O2/c1-17-15-34(18(2)31-17)22-10-8-19(9-11-22)24-25(37)35(26(33-24)12-3-4-13-26)16-23(36)32-21-7-5-6-20(14-21)27(28,29)30/h5-11,14-15H,3-4,12-13,16H2,1-2H3,(H,32,36).
What are the key properties of 2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 509.53 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2,4-dimethylimidazol-1-yl)phenyl]-3-oxo-1,4-diazaspiro[4.4]non-1-en-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25221664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).